Abstract:
The increasing volume of packaging waste, a representative component of municipal solid waste, has raised considerable environmental concerns. The present study conducted a detailed inves
tigation into kinetic and thermodynamic of pyrolysis-gasification for post-consumer beverage cartons (BCs). Subsequently, the conversion was simulated using reactive force field molecular dynamics (ReaxFF-MD) to outline a proposed conversion pathway. Techno-economic assessment (TEA) was then conducted to evaluate economic performance of BCs conversion at different scales. The BCs decomposition could be divided into four stages of <375, 375–500, 500–800 and 800–900 ◦C with mass loss of 51.3–60.6, 19.0–25.3, 4.9–12.3 and 2.5–4.7 wt%, respectively. Fourier transform infrared spectrometry and mass spectrometry confirmed the evolution of
fins, alkynes, and diolefins. The mean activation energy was calculated to be 60.2 kJ mol1 within conversion of <0.60, which increased significantly to 205.9 kJ mol1 for greater conversions. Positive changes in enthalpy and Gibbs free energy confirmed the endothermic and non- spontaneous nature of the pyrolysis-gasification reaction. The products generated and reactions involved in ReaxFF-MD simulation corresponded with the mass spectrometry results, indicating that β-scission of radicals was the predominant pathway for olefin formation. TEA analysis revealed that larger plants (45000 tonnes/a) had greater revenue potential, profitability, and positive returns on investment.